Institute of Physics of Materials AS CR, v. v. i. > Projects > Long-term conceptual development of research organizations

Long-term conceptual development of research organizations

Investigatorprof. RNDr. Ludvík Kunz, CSc., dr. h. c.
Number of ProjectRVO 68081723
AgencyAkademie věd České republiky
Duration2016-12-31 - 2017-12-30

Anotace
Covers the main part of the Institute’s activity. All the research groups participate on its solution by the dominant parts of their activity. The aim is to contribute to the gradual deepening of understanding of the relation between microstructure in the bulk as well as at surfaces and interfaces on the one hand and properties on the other hand. On this basis it is possible to optimise both the microstructure and the properties and design completely new materials. In the concrete, the research is centred on ultrafine-grained materials, microcrystalline, nanocrystalline and amorphous materials, intermetallics, superalloy single crystals and polycrystals, advanced steels, advanced magnesium alloys, advanced iron and nickel alloys, shape memory alloys, composite and nanocomposite materials, metal laminates, lead-free solder materials, magnetic semiconductors and half-metallic magnets, magnetic multilayers and transition-metal silicides. The investigated physical properties include relevant mechanical properties (creep, fatigue, brittle fracture) and/or selected electrical and magnetic properties.

2021

Tinoco Navarro H., Holzer J., Pikálek T., Sobota J., Fořt T., Matějka M., Kruml T., Hutař P.: Determination of the yield stress in Al thin film by applying bulge test. Journal of Physics: Conference Series 1777 (2021) 012030

Friák M., Pavlů J., Šob M.: Impact of Disorder on Properties of Vacancies: A Case Study of B2 and A2 Polymorphs of Non-Stoichiometric Fe2CoAl. Crystals 11 (2021) 1207

Lejček P., Hofmann S., Všianská M., Šob M.: Entropy matters in grain boundary segregation. Acta Mater. 206 (2021) 116597


2020

Friák M., Lago D., Koutná N., Holec D., Rebok T., Šob M.: Multi-phase ELAStic Aggregates (MELASA) software tool for modeling anisotropic elastic properties of lamellar composites. Computer Physics Communications 247 (2020) 106863


2019

Meng F., Zhen Y., Všianská M., Friák M., Šob M.: Theoretical investigations on structural, elastic, thermodynamic and electronic properties of Al3Ti and Al3V compounds in L12 structure under high pressure. Mat. Res. Express 6 (2019) 056536

Meng F., Všianská M., Friák M., Šob M.: Surface-induced magnetism in intermetallics: Ni3Ge compound as a case study. J. Magn. Magn. Mater. 474 (2019) 273-281

Koutná N., Řehák P., Chen Z., Bartosik M., Fallmann M., Černý M., Zhang Z., Friák M., Šob M., Mayrhofer P., Holec D.: Correlating structural and mechanical properties of AlN/TiN superlattice films. Scr. Mater. 165 (2019) 159-163

Elhadidy H., Hassan A.: Effect of Zr+4 doping on characteristics and sonocatalytic activity of TiO2/carbon nanotubes composite catalyst for degradation of chlorpyrifos. J. Phys. Chem. Solids 129 (2019) 180-187

Babinský T., Polák J.: Effective and internal stresses in 713LC and Rene 41 superalloys using analysis of the hysteresis loop shape. Procedia Struct. Integr. 23 (2019) 523-528

Friák M., Všianská M., Šob M.: A quantum-mechanical study of clean and Cr-segregated antiphase boundaries in Fe3Al. Materials 12 (2019) 3954

Friák M., Buršíková V., Pizúrová N., Pavlů J., Jirásková Y., Homola V., Miháliková I., Slávik A., Holec D., Všianská M., Koutná N., Fikar J., Janičkovič D., Šob M., Neugebauer J.: Elasticity of Phases in Fe-Al-Ti Superalloys: Impact of Atomic Order and Anti-Phase Boundaries. Crystals 9 (2019) 299

Černý M., Šesták P., Řehák P., Všianská M., Šob M.: Atomistic approaches to cleavage of interfaces. Model. Simul. Mater. Sci. Eng. 27 (2019) 035007

Tinoco Navarro H., Holzer J., Pikálek T., Buchta Z., Lazar J., Chlupová A., Kruml T., Hutař P.: Determination of elastic parameters of Si3N4 thin films by means of a numerical approach and bulge tests. Thin Solid Films 672 (2019) 66-74

Elhadidy H.: Electromigration and Polarization in Schottky Contacts CdTe Based Compounds. Arab Journal of Nuclear Sciences and Applications 52 (2019) 13-18

Káňa T., Zouhar M., Černý M., Šob M.: Ab initio study of the theoretical strength and magnetism of the Fe-Pd, Fe-Pt and Fe-Cu nanocomposites. J. Magn. Magn. Mater. 469 (2019) 100-107

Elhadidy H., Mahi F., Franc J., Schneeweiss O.: Calculations of High-Frequency Noise Spectral Density of Different CdTe Metal-Semiconductor-Metal Schottky Contacts. J. Electronic Mater. 11 (2019) 1-7


2018

Elhadidy H., Mahi F., Franc J., Musiienko A., Dedic V., Schneeweiss O.: High frequency noise calculation in Schottky metal-semiconductor-metal structure and parameter retrieval of nanometric CdTe structure. Thin Solid Films 65 (2018) 340-344

Friák M., Oweisová S., Pavlů J., Holec D., Šob M.: An ab initio study of thermodynamic and mechanical stability of Heusler-based Fe2AlCo polymorphs. Materials 11 (2018) 1543

Friák M., Slávik A., Miháliková I., Holec D., Všianská M., Šob M., Palm M., Neugebauer J.: Origin of the low magnetic moment in Fe2AlTi: An ab initio study. Materials 11 (2018) 1732

Friák M., Zelený M., Všianská M., Holec D., Šob M.: An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Sigma5(210) Grain Boundaries in Ni3Si. Materials 11 (2018) 2263

Friák M., Holec D., Šob M.: Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies. Nanomaterials 8 (2018) 1057

Petráš R., Polák J.: Damage mechanism in austenitic steel during high temperature cyclic loading with dwells. Int. J. Fatigue 113 (2018) 335-344

Lejček P., Všianská M., Šob M.: Recent trends and open questions in grain boundary segregation (INVITED FEATURE PAPER). J. Mater. Res. 33 (2018) 2647-2660

Heczko M., Esser B., Smith T., Beran P., Mazánová V., McComb D., Kruml T., Polák J., Mills M.: Atomic resolution characterization of strengthening nanoparticles in a new high-temperature-capable 43Fe-25Ni-22.5Cr austenitic stainless steel. Mater. Sci. Eng. A 719 (2018) 49-60

Elhadidy H., Franc J., Dedic V., Musiienko A.: Transient phenomena at Schottky Au-CdZnTe interface. J. Instrument. 13 (2018) C10001

Friák M., Kroupa P., Holec D., Šob M.: An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides. Nanomaterials 8 (2018) 1049

Elhadidy H., Musiienko A., Grill R., Schneeweiss O., Franc J., Moravec P.: Study of electromigration phenomena in Au/p-type CdTe with two Schottky contacts. J. Instrument. 13 (2018) C10002

Koutná N., Holec D., Friák M., Mayrhofer P., Šob M.: Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: First-principles calculations. Mater. & Design 144 (2018) 310-322

Man J., Järvenpää A., Jaskari M., Kuběna I., Fintová S., Chlupová A., Karjalainen L., Polák J.: Cyclic deformation behaviour and stability of grain-refined 301LN austenitic stainless structure. MATEC Web Conf. 165 (2018) 06005

Šesták P., Friák M., Holec D., Všianská M., Šob M.: Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study. Nanomaterials 8 (2018) 873

Paidar V., Šob M., Vítek V.: Dislocation dissociations in C11b MoSi2 and their impact on its plastic deformation. Intermetallics 97 (2018) 34-41


2017

Mazánová V., Heczko M., Kuběna I., Polák J.: Surface Relief Formation in Relation to the Underlying Dislocation Arrangement. Solid State Phenom. 258 (2017) 526-529

Heczko M., Esser B., Smith T., Beran P., Mazánová V., Kruml T., Polák J., Mills M.: On the origin of extraordinary cyclic strengthening of the austenitic stainless steel Sanicro 25 during fatigue at 700 C. J. Mater. Res. 32 (2017) 4342-4353

Záležák T., Svoboda J., Dlouhý A.: High temperature dislocation processes in precipitation hardened crystals investigated by a 3D discrete dislocation dynamics. Int. J. Plast. 97 (2017) 1-23

Mazánová V., Škorík V., Kruml T., Polák J.: Cyclic response and early damage evolution in multiaxial cyclic loading of 316L austenitic steel. Int. J. Fatigue 100 (2017) 466-476

Hassan A., Elhadidy H., Abdel-Mohnsen A.: Adsorption and photocatalytic detoxification of diazinon using iron and nanotitania modified activated carbons. J. Taiwan Inst. Chem. Eng. 75 (2017) 299-306

Lejček P., Šob M., Paidar V.: Segregace příměsí na hranicích zrn a mezikrystalová křehkost - významná česká stopa ve fyzice materiálů. Čs. čas. fyz. 67 (2017) 203-211

Všianská M., Vémolová H., Šob M.: Segregation of sp-impurities at grain boundaries and surfaces: comparison of fcc cobalt and nickel. Model. Simul. Mater. Sci. Eng. 25 (2017) 085004

Dey P., Nazarov R., Dutta B., Yao M., Herbig M., Friák M., Hickel T., Raabe D., Neugebauer J.: Ab initio explanation of disorder and off-stoichiometry in Fe-Mn-Al-C kappa-carbides. Phys. Rev. B 95 (2017) 104108

Man J., Smaga M., Kuběna I., Eifler D., Polák J.: Effect of metallurgical variables on the austenite stability in fatigued AISI 304 type steels. Eng. Fract. Mech. 185 (2017) 139-159

Heczko M., Polák J., Kruml T.: Microstructure and dislocation arrangements in Sanicro 25 steel fatigued at ambient and elevated temperatures. Mater. Sci. Eng. A 680 (2017) 168-181

Polák J., Mazánová V., Heczko M., Petráš R., Kuběna I., Casalena L., Man J.: The role of extrusions and intrusions in fatigue crack initiation. Eng. Fract. Mech. 185 (2017) 46-60

Mazánová V., Polák J., Škorík V., Kruml T.: Multiaxial elastoplastic cyclic loading of austenitic 316L steel. Frattura ed Integrita Strutturale 11 (2017) 162-169

Vřešťál J., Pavlů J., Wdowik U., Šob M.: Modelling of phase equilibria in the Hf-V system below room temperature. J. Mining Metall. B 53 (2017) 239-247

Chlup Z., Žižka R., Kania J., Přibyl M.: Fracture behaviour of teeth with conventional and mini-invasive access cavity designs. J. Eur. Ceram. Soc. 37 (2017) 4423-4429

Lejček P., Šob M., Paidar V.: Interfacial segregation and grain boundary embrittlement: An overview and critical assessment of experimental data and calculated results. Prog. Mater. Sci. 87 (2017) 83-139

Polák J., Mazánová V., Heczko M., Kuběna I., Man J.: Profiles of persistent slip markings and internal structure of underlying persistent slip bands. Fatigue Fract. Eng. Mater. Struct. 40 (2017) 1101-1116

Schneeweiss O., Friák M., Dudová M., Holec D., Šob M., Kriegner D., Holý V., Beran P., George E., Neugebauer J., Dlouhý A.: Magnetic properties of the CrMnFeCoNi high-entropy alloy. Phys. Rev. B 96 (2017) 014437


2016

Polák J., Man J.: Experimental evidence and physical models of fatigue crack initiation. Int. J. Fatigue 91 (2016) 294-303

Polák J., Mazánová V., Kuběna I., Heczko M., Man J.: Surface Relief and Internal Structure in Fatigued Stainless Sanicro 25 Steel. Metall. Mater. Trans. A 47A (2016) 1907-1911

Halasová M., Černý M., Strachota A., Chlup Z., Dlouhý I.: Fracture response of SiOC-based, composites on dynamic loading. J. Composite Mater. 50 (2016) 1547-1554

Káňa T., Hüger E., Legut D., Čiripová L., Šob M.: Magnetism and deformation of epitaxial Pd and Rh thin films. Phys. Rev. B 93 (2016) 134422

Fabritius H., Ziegler A., Friák M., Nikolov S., Huber J., Seidl B., Ruangchai S., Alagboso F., Karsten S., Lu J., Janus A., Petrov M., Zhu L., Hemzalová P., Hild S., Raabe D., Neugebauer J.: Functional adaptation of crustacean exoskeletal elements. Bioinspir. & Biomim. 11 (2016) 055006

Petráš R., Škorík V., Polák J.: Thermomechanical fatigue and damage mechanisms in Sanicro 25 steel. Mater. Sci. Eng. A 650 (2016) 52-62

Černý M., Šesták P., Řehák P., Všianská M., Šob M.: Ab initio tensile tests of grain boundaries in the fcc crystals of Ni and Co with segregated sp-impurities. Mater. Sci. Eng. A 669 (2016) 218-225

Chlupová A., Heczko M., Obrtlík K., Polák J., Roupcová P., Beran P., Kruml T.: Mechanical properties of high niobium TiAl alloys doped with Mo and C. Mater. & Design 99 (2016) 284-292

Abdel-Mohnsen A., Jančar J., Massaoud D., Fohlerová Z., Elhadidy H., Spotz Z., Hebeish A.: Novel chitin/chitosan-glucan wound dressing. Int. J. Pharmaceut. 510 (2016) 86-99

Polák J., Petráš R., Heczko M., Kruml T., Chai G.: Evolution of the cyclic plastic response of Sanicro 25 steel cycled at ambient and elevated temperatures. Int. J. Fatigue 83 (2016) 75-83

Petráš R., Škorík V., Polák J.: Damage Evolution in Thermomechanical Loading of Stainless Steel. Procedia Struct. Integr. 2 (2016) 3407-3414

Chlupová A., Chlup Z., Kruml T.: Fatigue properties and microstructure of quasicrystalline AlFeCrTi alloy. Int. J. Fatigue 91 (2016) 251-256

Zouhar M., Šob M.: Ab initio study of deformed As, Sb, and Bi with an application to thin films. Phys. Rev. B 94 (2016) 184110

Gröger R., Marchand B., Lookman T.: Dislocations via incompatibilities in phase-field models of microstructure evolution. Phys. Rev. B 94 (2016) 054105

Pavlů J., Vřešťál J., Šob M.: Ab initio study of energetics and magnetism of sigma phase in Co-Mo and Fe-Mo systems. Model. Simul. Mater. Sci. Eng. 24 (2016) 025006


2015

Paidar V., Čiripová L., Šob M., Inui H.: Planar defects and dislocations in transition-metal disilicides. Intermetallics 58 (2015) 43-49

Polák J., Man J.: Initiation of stage I fatigue cracks - experiments and models. Procedia Eng. 101 (2015) 386-394

Rogl G., Grytsiv A., Buršík J., Horký J., Anbalagan R., Bauer E., Mallik R., Rogl P., Zehetbauer M.: Changes in microstructure and physical properties of skutterudites after severe plastic deformation. Phys. Chem. Chem. Phys. 17 (2015) 3715-3722

Ostapovec A., Buršík J., Gröger R.: Deformation due to migration of faceted twin boundaries in magnesium and cobalt. Philos. Mag. 95 (2015) 4106-4117

Halasová M., Černý M., Strachota A., Chlup Z., Dlouhý I.: Fracture response of SiOC based composites on dynamic loading. J. Composite Mater. 1 (2015) 1-8

Zobač O., Sopoušek J., Kroupa A.: Calphad-type assessment of the Sb-Sn-Zn ternary system. CALPHAD 51 (2015) 51-56

Chlup Z., Černý M., Strachota A., Svítilová J., Halasová M.: Effect of ageing at 1200 °C in oxidative environment on the mechanical response of SiOC foams. Ceram. Int. 41 (2015) 9030-9034

Polák J., Petráš R.: Hysteresis loop analysis in cyclically strained materials. Adv. Struct. Mater. 57 (2015) 185-205

Polák J., Petrenec M., Chlupová A., Tobiáš J., Petráš R.: Cyclic plastic response of nickel-based superalloy at room and at elevated temperatures. Materials Testing 57 (2015) 119-125

Pavlů J., Řehák P., Vřešťál J., Šob M.: Combined quantum-mechanica land Calphad approach to description of heat capacity o fpure elements below room temperature. CALPHAD 51 (2015) 161-171

Gröger R., Vítek V.: Determination of positions and curved transition pathways of screw dislocations in BCC crystals from atomic displacements. Mater. Sci. Eng. A 643 (2015) 203-210

Řehák P., Černý M., Šob M.: Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading. Model. Simul. Mater. Sci. Eng. 23 (2015) 055010

Pokluda J., Černý M., Šob M., Umeno Y.: Ab initio calculations of mechanical properties: Methods and applications. Prog. Mater. Sci. 58 (2015) 43-49

Polák J., Man J.: Quantitative model of the surface relief formation in cyclic straining. Acta Phys. Pol. A 128 (2015) 675-680

Ostapovec A., Serra A.: Evolution of Matrix-Twin Interfaces of (1 0 -1 2) Twin in Magnesium. Acta Phys. Pol. A 128 (2015) 661-663

Chlup Z., Hadraba H., Drdlík D., Dlouhý I.: Micro fibres containing laminates prepared by EPD: microstructure and fracture behaviour. Key Eng. Mater. 654 (2015) 53-57

Fikar J., Gröger R.: Interactions of prismatic dislocation loops with free surfaces in thin foils of body-centered cubic iron. Acta Mater. 99 (2015) 392-401

Chlup Z., Bača L., Halasová M., Neubauer E., Hadraba H., Stelzer N., Roupcová P.: Effect of metallic dopants on the microstructure and mechanical properties of TiB2. J. Eur. Ceram. Soc. 35 (2015) 2745-2754

Polák J., Petráš R., Mazánová V.: Basic mechanisms leading to fatigue failure of structural materials. Trans. Indian Inst. Metals 1 (2015) 1-6

Kroupa A., Káňa T., Buršík J., Zemanová A., Šob M.: Modelling of phase diagrams of nanoalloys with complex metallic phases: Application to Ni-Sn. Phys. Chem. Chem. Phys. 17 (2015) 28200-28210

Man J., Valtr M., Petrenec M., Dluhoš J., Kuběna I., Obrtlík K., Polák J.: AFM and SEM-FEG study on fundamental mechanisms leading to fatigue crack initiation. Int. J. Fatigue 76 (2015) 11-18

Paidar V., Čiripová L., Šob M., Inui H.: What Types of Stacking Faults and Dislocation Dissociations Can Be Found in Transition-Metal Disilicides. Acta Phys. Pol. A 128 (2015) 589-591

Gröger R., Leconte L., Ostapovec A.: Structure and stability of threading edge and screw dislocations in bulk GaN. Comp. Mater. Sci. 99 (2015) 195-202


2014

Chlup Z., Černý M., Strachota A., Halasová M., Dlouhý I.: Fibre-matrix interface development during high temperature exposition of long fibre reinforced SiOC matrix. Key Eng. Mater. 592-593 (2014) 401-404

Fischer F., Svoboda J.: Formation of bubbles by hydrogen attack and elastic-plastic deformation of the matrix. Int. J. Plast. 63 (2014) 110-123

Lejček P., Zheng L., Hofmann S., Šob M.: Applied Thermodynamics: Grain Boundary Segregation. Entropy 16 (2014) 1462-1483

Svoboda J., Fischer F.: Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems. Model. Simul. Mater. Sci. Eng. 22 (2014) 015013

Man J., Valtr M., Kuběna I., Petrenec M., Obrtlík K., Polák J.: AFM and FIB study of cyclic strain localization and surface relief evolution in fatigued f.c.c. polycrystals. Adv. Mater. Res. 891-892 (2014) 524-529

Hutař P., Ševčík M., Náhlík L., Zouhar M., Knésl Z.: Assessment of the stability of a surface crack in laminates. Mech. Comp. Materials 50 (2014) 9-16

Gröger R.: Thermodynamics of dislocation pattern formation at the mesoscale. Key Eng. Mater. 592-593 (2014) 79-82

Polák J., Man J.: Mechanisms of extrusion and intrusion formation in fatigued crystalline materials. Mater. Sci. Eng. A 596 (2014) 15-24

Polák J., Man J.: Fatigue crack initiation - The role of point defects. Int. J. Fatigue 65 (2014) 18-27

Chlup Z., Hadraba H., Drdlík D., Maca K., Dlouhý I., Bermejo R.: On the determination of the stress-free temperature for alumina-zirconia multilayer structures. Ceram. Int. 40 (2014) 5787-5793

Sopoušek J., Pinkas J., Brož P., Buršík J., Vykoukal V., Škoda D., Stýskalík A., Zobač O., Vřešťál J., Hrdlička A., Šimbera J.: Ag-Cu Colloid Synthesis: Bimetallic Nanoparticle Characterisation and Thermal Treatment. J. Nanomater. 2014 (2014) 638964

Ostapovec A., Serra A.: Characterization of the matrix-twin interface of a (1012) twin during growth. Philos. Mag. 94 (2014) 2827-2839

Wind J., Romaniv O., Schöllhammer G., Buršík J., Michor H., Giester G., Rogl P.: The systems Tantalum(Niobium)-Cobalt-Boron. J. Phase Equil. Diffus. 35 (2014) 43-85

Ostapovec A., Gröger R.: Twinning disconnections and basal-prismatic twin boundary in magnesium. Model. Simul. Mater. Sci. Eng. 22 (2014) 025015

Sopoušek J., Vřešťál J., Pinkas J., Brož P., Buršík J., Stýskalík A., Škoda D., Zobač O., Lee J.: Cu-Ni nanoalloy phase diagram - Prediction and experiment. CALPHAD 45 (2014) 33-39

Svoboda J., Mori G., Prethaler A., Fischer F.: Determination of trapping parameters and the chemical diffusion coefficient from hydrogen permeation experiments. Corros. Sci. 82 (2014) 93-100

Gröger R.: Which stresses affect the glide of screw dislocations in bcc metals?. Philos. Mag. 94 (2014) 2021-2030

Polák J., Petráš R., Heczko M., Kruml T., Chai G.: Analysis of Cyclic Plastic Response of Heat Resistant Sanicro 25 Steel at Ambient and Elevated Temperatures. Procedia Eng. 74 (2014) 68-73

Fischer F., Svoboda J.: Diffusion of elements and vacancies in multi-component systems. Prog. Mater. Sci. 60 (2014) 338-367

Man J., Weidner A., Klapetek P., Polák J.: Slip activity of persistent slip bands in early stages of fatigue life of austenitic 316L steel. Key Eng. Mater. 592-593 (2014) 785-788

Fischer F., Svoboda J., Petryk H.: Thermodynamic extremal principles for irreversible processes in materials science. Acta Mater. 67 (2014) 1-20

Polák J., Man J.: Cyclic slip localization and crack initiation in crystalline materials. Adv. Mater. Res. 891-892 (2014) 452-457

Polák J., Petráš R., Heczko M., Kuběna I., Kruml T., Chai G.: Low cycle fatigue behavior of Sanicro 25 steel at room and at elevated temperature. Mater. Sci. Eng. A 615 (2014) 175-182

Petrenec M., Polák J., Tobiáš J., Šmíd M., Chlupová A., Petráš R.: Analysis of cyclic plastic response of nickel based IN738LC superalloy. Int. J. Fatigue 65 (2014) 44-50

Záležák T., Dlouhý A.: 3D discrete dislocation dynamics applied to a motion of low-angle tilt boundaries. Key Eng. Mater. 592-593 (2014) 87-91

Jácome L., Nörtershäuser P., Somsen C., Dlouhý A., Eggeler G.: On the nature of gama´ phase cutting and its effect on high temperature and low stress creep anisotropy of Ni-base single crystal superalloys. Acta Mater. 69 (2014) 246-264

Zobač O., Sopoušek J., Buršík J., Zemanová A., Roupcová P.: Experimental study of the Sb-Sn-Zn alloy system. Metall. Mater. Trans. A 45 (2014) 1181-1188

Polák J., Man J., Kuběna I.: The true shape of persistent slip markings in fatigued metals. Key Eng. Mater. 592-593 (2014) 781-784

Štrof J., Pavlů J., Wdowik U., Buršík J., Šob M., Vřešťál J.: Laves phases in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram. CALPHAD 44 (2014) 62-69

Holec D., Friák M., Dlouhý A., Neugebauer J.: Ab initio study of point defects in NiTi-based alloys. Phys. Rev. B 89 (2014) 014110


2013

Fischer F., Svoboda J., Kozeschnik E.: Interstitial Diffusion in Systems with Multiple Sorts of Traps. Model. Simul. Mater. Sci. Eng. 21 (2013) 025008

Gröger R., Vítek V.: Stress dependence of the Peierls barrier of 1/2<111> screw dislocations in bcc metals. Acta Mater. 61 (2013) 6362-6371

Svoboda J., Fischer F.: A New Computational Treatment of Reactive Diffusion in Binary Systems. Comp. Mater. Sci. 78 (2013) 39-46

Hackl K., Fischer F., Klevakina K., Renner J., Svoboda J.: A Variational Approach to Grooving and Wetting. Acta Mater. 61 (2013) 1581-1591

Malík Z., Grytsiv A., Rogl P., Giester G., Buršík J.: Phase relations and structural features in the system Ni-Zn-B. J. Solid State Chem. 198 (2013) 150-161

Ševčík M., Hutař P., Náhlík L., Seitl S.: The effect of constraint level on a crack path. Engineering Failure Analysis. Eng. Fail. Anal. 29 (2013) 83-92

Polák J., Kuběna I., Man J.: The shape of early persistent slip markings in fatigued 316L steel. Mater. Sci. Eng. A 564 (2013) 8-12

Lejček P., Šob M., Paidar V., Vítek V.: Why calculated energies of grain boundary segregation are unreliable when segregant solubility is low. Scr. Mater. 68 (2013) 547-550

Svoboda J., Shan Y., Kozeschnik E., Fischer F.: Determination of Depths of Interstitial Traps from Thermodynamic Data - A New View on Carbon Trapping and Diffusion. Model. Simul. Mater. Sci. Eng. 21 (2013) 065012

Fischer F., Mori G., Svoboda J.: Modelling the Influence of Trapping on Hydrogen Permeation in Metals. Corros. Sci. 76 (2013) 382-389

Srivastava K., Gröger R., Weygand D., Gumbsch P.: Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations. Int. J. Plast. 47 (2013) 126-142

Svoboda J., Fischer F., Schillinger W.: Formation of Multiple Stoichiometric Phases in Binary Systems by Combined Bulk and Grain Boundary Diffusion - Experiments and Model. Acta Mater. 61 (2013) 32-39

Hemzalová P., Friák M., Šob M., Ma D., Udyansky A., Raabe D., Neugebauer J.: Ab initio study of thermodynamic, electronic, magnetic, structural, and elastic properties of Ni4N allotropes. Phys. Rev. B 88 (2013) 174103

Nezbedová E., Hutař P., Zouhar M., Knésl Z., Sadílek J., Náhlík L.: The applicability of the Pennsylvania Notch Test for a new generation of PE pipe grades. Polymer Testing 32 (2013) 106-114

Kruml T., Martin J.: Dislocation densities and internal stress in Ni3Al. Philos. Mag. 93 (2013) 50-59

Rothová V.: A simple measurement of the Ni-63 diffusion profiles by residual activity method using a liquid scintillation counter. Nucl. Instr. Meth. Phys. Res. A 729 (2013) 702-706

Černý M., Šesták P., Pokluda J., Šob M.: Shear instabilities in perfect bcc crystals during simulated tensile tests. Phys. Rev. B 87 (2013) 014117


2012

Káňa T., Šob M.: Mechanical and magnetic properties of Mn-Pt compounds and nanocomposites. Phys. Rev. B 85 (2012) 214438

Polák J., Man J., Petrenec M.: Damage evolution during fatigue in structural materials. Procedia Mater. Sci. 1 (2012) 3-12

Fischer F., Svoboda J., Hackl K.: Modelling the Kinetics of a Triple Junction. Acta Mater. 60 (2012) 4704-4711

Pavlů J., Šob M.: Ab Initio Study of C14 Laves PhasesS in Fe-based Systems. J. Mining Metall. B 48 (2012) 395-401